35 Known Ingredients in Total


Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.



17 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC93756
Formula: C11H10O4

Ingredient ID: NPC87125
Formula: C16H12O7

Ingredient ID: NPC83546
Formula: C10H10O3

Ingredient ID: NPC8180
Formula: C14H22

Ingredient ID: NPC78500
Formula: C7H6O

Ingredient ID: NPC66704
Formula: C13H16O5

Ingredient ID: NPC66624
Formula: C7H14O

Ingredient ID: NPC66577
Formula: C15H24

Ingredient ID: NPC58616
Formula: C9H10O2

Ingredient ID: NPC55597
Formula: C16H18O9

Ingredient ID: NPC54626
Formula: C8H8O2

Ingredient ID: NPC47521
Formula: C41H28O26

Ingredient ID: NPC31872
Formula: C11H10O4

Ingredient ID: NPC311936
Formula: C16H11NO3

Ingredient ID: NPC303522
Formula: C12H14O3

Ingredient ID: NPC302170
Formula: C34H26O22

Ingredient ID: NPC294196
Formula: C17H13NO4

Ingredient ID: NPC291957
Formula: C27H22O18

Ingredient ID: NPC260911
Formula: C12H12O4

Ingredient ID: NPC257124
Formula: C10H12O2

Ingredient ID: NPC247266
Formula: C15H24

Ingredient ID: NPC203719
Formula: C8H8O3

Ingredient ID: NPC190204
Formula: C41H30O26

Ingredient ID: NPC175793
Formula: C34H26O22

Ingredient ID: NPC175313
Formula: C9H10O

Ingredient ID: NPC142591
Formula: C21H22O10

Ingredient ID: NPC142415
Formula: C30H48O3

Ingredient ID: NPC13789
Formula: C15H24O

Ingredient ID: NPC128825
Formula: C8H8O3

Ingredient ID: NPC125920
Formula: C12H12O4

Ingredient ID: NPC125519
Formula: C16H18O9

Ingredient ID: NPC118343
Formula: C14H12O2

Ingredient ID: NPC109813
Formula: C15H24

Ingredient ID: NPC108113
Formula: C11H10O4

Ingredient ID: NPC10097
Formula: C16H18O9

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC10097 C16H18O9 354.0950822 -3.2204 2.23 -1.658 6 6 156.91 9 3 25 1
NPC108113 C11H10O4 206.0579088 -0.3427 2.23 0.529 1 2 66.76 4 2 15 0
NPC109813 C15H24 Beta-Caryophyllene 204.19 3.2289 3.11 6.044 0 0 0 3 2 15 1
NPC118343 C14H12O2 Benzyl Benzoate 212.08 -0.0795 2.78 5.895 2 0 26.3 4 2 16 1
NPC125519 C16H18O9 354.0950822 -3.2204 2.23 -1.658 6 6 156.91 2 3 25 1
NPC125920 C12H12O4 220.0735589 0.0658 2.34 1.048 1 1 55.76 5 2 16 0
NPC128825 C8H8O3 Methyl Salicylate 152.05 -0.4491 2.01 2.585 2 1 46.53 4 1 11 0
NPC13789 C15H24O (-)-Caryophyllene Oxide 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC142591 C21H22O10 (2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one 434.1212969 -3.7135 2.67 -0.272 6 6 166.14 3 4 31 1
NPC175313 C9H10O 134.0731649 0.5684 2.34 3.139 0 1 20.23 3 1 10 0
NPC175793 C34H26O22 786.09 -6.5602 2.78 -0.957 10 13 377.42 19 6 56 1
NPC190204 C41H30O26 Eugeniin 938.1 -7.5719 3.11 -0.135 11 15 444.18 24 7 67 2
NPC203719 C8H8O3 Vanillin 152.05 -0.7045 2.01 1.04 1 1 46.53 4 1 11 0
NPC247266 C15H24 (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene 204.1878008 3.2873 3.11 5.985 0 0 0 0 1 15 1
NPC257124 C10H12O2 Eugenol 164.08 0.5166 2.34 2.484 0 1 29.46 5 1 12 0
NPC260911 C12H12O4 5-hydroxy-7-methoxy-2,8-dimethylchromen-4-one 220.0735589 0.0658 2.34 1.048 1 1 55.76 1 2 16 0
NPC291957 C27H22O18 634.0806139 -5.5485 2.45 -1.35 18 11 310.66 14 5 45 1
NPC294196 C17H13NO4 295.0844579 -0.6455 2.78 3.003 2 2 71.28 2 4 22 0
NPC302170 C34H26O22 786.0915725 -6.5602 2.78 -0.957 10 13 377.42 6 6 56 1
NPC303522 C12H14O3 Eugenyl Acetate 206.09 0.8957 2.45 3.224 1 0 35.53 7 1 15 0
NPC311936 C16H11NO3 Piperolactam A 265.07 -0.5937 2.78 3.447 2 2 62.05 4 4 20 0
NPC31872 C11H10O4 Eugenin 206.06 -0.5762 2.23 0.936 1 1 55.76 4 2 15 0
NPC47521 C41H28O26 936.09 -7.5719 3.11 -0.967 11 15 444.18 18 8 67 2
NPC54626 C8H8O2 136.0524295 -0.2442 2.12 2.003 1 0 26.3 3 1 10 0
NPC55597 C16H18O9 5,7-dihydroxy-2-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 354.0950822 -3.2204 2.23 -1.658 6 6 156.91 2 3 25 1
NPC58616 C9H10O2 E1501 150.07 -0.0696 2.23 3.149 2 0 26.3 4 1 11 0
NPC66577 C15H24 204.1878008 4.1708 3.11 5.94 0 0 0 4 1 15 1
NPC66624 C7H14O 114.1044651 -1.0318 2.12 2.145 1 0 17.07 6 0 8 0
NPC66704 C13H16O5 1-(2,4,6-trimethoxyphenyl)butane-1,3-dione 252.0997736 -0.6383 2.34 1.012 2 0 61.83 6 1 18 0
NPC78500 C7H6O Benzaldehyde 106.04 -0.1924 2.12 3.08 1 0 17.07 1 1 8 0
NPC8180 C14H22 (1R,4Z,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]dec-4-ene 190.1721507 3.2321 3 5.664 0 0 0 0 2 14 1
NPC83546 C10H10O3 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal 178.0629942 -0.3434 2.23 1.312 1 1 46.53 3 1 13 0
NPC87125 C16H12O7 Rhamnetin 316.06 -2.3927 2.45 1.9 2 4 116.45 7 3 23 0
NPC93756 C11H10O4 Isoeugenitol 206.06 -0.3427 2.23 0.529 1 2 66.76 4 2 15 0

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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties